1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol

C8H13F5N2O — CID 141210991

IUPAC1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol
SMILESOC1CN(CCNCC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C8H13F5N2O/c9-7(10,8(11,12)13)5-14-1-2-15-3-6(16)4-15/h6,14,16H,1-5H2
InChIKeyZFECRZMJRLPPIT-UHFFFAOYSA-N
MW248.19 g/mol
LogP0.45
Rot. Bonds5

About 1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol

1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol (PubChem CID 141210991) has the molecular formula C8H13F5N2O and a molecular weight of 248.19 g/mol. Its IUPAC name is 1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol
PubChem CID141210991
Molecular FormulaC8H13F5N2O
Molecular Weight248.19 g/mol
Exact Mass248.09
IUPAC Name1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol
SMILESOC1CN(CCNCC(F)(F)C(F)(F)F)C1
InChIInChI=1S/C8H13F5N2O/c9-7(10,8(11,12)13)5-14-1-2-15-3-6(16)4-15/h6,14,16H,1-5H2
InChIKeyZFECRZMJRLPPIT-UHFFFAOYSA-N
XLogP0.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol?
The IUPAC name of 1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol (CID 141210991) is 1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol.
What is the SMILES notation for 1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol?
The canonical SMILES for 1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol is OC1CN(CCNCC(F)(F)C(F)(F)F)C1.
What is the InChIKey of 1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol?
The InChIKey is ZFECRZMJRLPPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5N2O/c9-7(10,8(11,12)13)5-14-1-2-15-3-6(16)4-15/h6,14,16H,1-5H2.
What are the key properties of 1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol?
1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol has a molecular weight of 248.19 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,3,3,3-pentafluoropropylamino)ethyl]azetidin-3-ol is sourced from PubChem (CID 141210991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).